2-chloro-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
Chemical Structure Depiction of
2-chloro-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
2-chloro-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
Compound characteristics
| Compound ID: | C200-4510 |
| Compound Name: | 2-chloro-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide |
| Molecular Weight: | 438.94 |
| Molecular Formula: | C21 H19 Cl N6 O S |
| Smiles: | CC(C)c1ccc(cc1)n1c(C)c(c2nc(NC(c3ccccc3[Cl])=O)sn2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.3246 |
| logD: | 5.2897 |
| logSw: | -5.7499 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.76 |
| InChI Key: | RDCYAJVRCOXKKI-UHFFFAOYSA-N |